BDBM50328164 CHEMBL1258129::N4-methyl-N6-(2-morpholinoethyl)-N4-(4-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine

SMILES: CN(c1ccc(OC(F)(F)F)cc1)c1cc(NCCN2CCOCC2)ncn1

InChI Key: InChIKey=IXGHJTLQLKRUGM-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50328164   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bcr-Abl (Homo sapiens (Human))	BDBM50328164 (CHEMBL1258129 | N4-methyl-N6-(2-morpholinoethyl)-N...) Show SMILES CN(c1ccc(OC(F)(F)F)cc1)c1cc(NCCN2CCOCC2)ncn1 Show InChI InChI=1S/C18H22F3N5O2/c1-25(14-2-4-15(5-3-14)28-18(19,20)21)17-12-16(23-13-24-17)22-6-7-26-8-10-27-11-9-26/h2-5,12-13H,6-11H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair